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Compile Data Set for Download or QSAR

Found 1209 hits with Last Name = 'harrison' and Initial = 'ba'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123752
PNG
((E)-(1S,2S,6S,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C33H42N2O5/c1-22-16-27(37)17-23(2)28(22)20-30(34)32(39)15-9-14-31(38)29(19-25-12-7-4-8-13-25)33(40)35-26(21-36)18-24-10-5-3-6-11-24/h3-14,16-17,26,29-32,36-39H,15,18-21,34H2,1-2H3,(H,35,40)/p+1/b14-9+/t26-,29+,30-,31-,32-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123763
PNG
((E)-(1S,2S,6S,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30+,31+/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123754
PNG
((E)-(1S,2S,6S,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C32H39NO5/c1-22-18-26(34)19-23(2)27(22)21-29(33)31(36)15-9-14-30(35)28(20-25-12-7-4-8-13-25)32(37)38-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,34-36H,15-17,20-21,33H2,1-2H3/p+1/b14-9+/t28-,29+,30+,31+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123756
PNG
((E)-(1S,2R,6S,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31(37)15-9-14-30(36)28(20-25-12-7-4-8-13-25)32(38)34-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,35-37H,15-17,20-21,33H2,1-2H3,(H,34,38)/p+1/b14-9+/t28-,29+,30+,31-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123750
PNG
((E)-(1S,2S,6S,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31(37)15-9-14-30(36)28(20-25-12-7-4-8-13-25)32(38)34-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,35-37H,15-17,20-21,33H2,1-2H3,(H,34,38)/p+1/b14-9+/t28-,29+,30+,31+/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123751
PNG
((E)-(1S,2S,6R,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31(37)15-9-14-30(36)28(20-25-12-7-4-8-13-25)32(38)34-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,35-37H,15-17,20-21,33H2,1-2H3,(H,34,38)/p+1/b14-9+/t28-,29+,30-,31+/m1/s1
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0.370n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123759
PNG
((E)-(1S,2S,6R,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30-,31+/m1/s1
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0.420n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123762
PNG
((E)-(1S,2S,6S,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C33H41NO6/c1-22-16-26(36)17-23(2)28(22)20-30(34)32(38)15-9-14-31(37)29(19-25-12-7-4-8-13-25)33(39)40-27(21-35)18-24-10-5-3-6-11-24/h3-14,16-17,27,29-32,35-38H,15,18-21,34H2,1-2H3/p+1/b14-9+/t27-,29+,30-,31-,32-/m0/s1
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0.440n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123760
PNG
((E)-(1S,2S,6S,7R)-7-((S)-1-Carbamoyl-2-phenyl-etho...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H40N2O6/c1-21-16-25(36)17-22(2)26(21)20-28(34)30(38)15-9-14-29(37)27(18-23-10-5-3-6-11-23)33(40)41-31(32(35)39)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,36-38H,15,18-20,34H2,1-2H3,(H2,35,39)/p+1/b14-9+/t27-,28+,29+,30+,31+/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123757
PNG
((E)-(1S,2S,6R,7S)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31(37)15-9-14-30(36)28(20-25-12-7-4-8-13-25)32(38)34-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,35-37H,15-17,20-21,33H2,1-2H3,(H,34,38)/p+1/b14-9+/t28-,29-,30+,31-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123755
PNG
(2-{(R)-2-[1-((S)-(S)-1-Carbamoyl-2-phenyl-ethylcar...)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1
Show InChI InChI=1S/C32H37N5O4/c33-25(19-22-11-4-1-5-12-22)32(41)37-18-10-17-28(37)31(40)36-27(21-24-15-8-3-9-16-24)30(39)35-26(29(34)38)20-23-13-6-2-7-14-23/h1-9,11-16,25-28H,10,17-21,33H2,(H2,34,38)(H,35,39)(H,36,40)/p+1/t25-,26-,27-,28+/m0/s1
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0.690n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123761
PNG
((E)-(1S,2R,6R,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31(37)15-9-14-30(36)28(20-25-12-7-4-8-13-25)32(38)34-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,35-37H,15-17,20-21,33H2,1-2H3,(H,34,38)/p+1/b14-9+/t28-,29+,30-,31-/m1/s1
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0.720n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123753
PNG
((E)-(1S,2S,6R,7S)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28-,29-,30+,31-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123758
PNG
((E)-(1S,2R,6S,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30+,31-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123749
PNG
((E)-(1S,2R,6R,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30-,31-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123758
PNG
((E)-(1S,2R,6S,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30+,31-/m1/s1
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15n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123762
PNG
((E)-(1S,2S,6S,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C33H41NO6/c1-22-16-26(36)17-23(2)28(22)20-30(34)32(38)15-9-14-31(37)29(19-25-12-7-4-8-13-25)33(39)40-27(21-35)18-24-10-5-3-6-11-24/h3-14,16-17,27,29-32,35-38H,15,18-21,34H2,1-2H3/p+1/b14-9+/t27-,29+,30-,31-,32-/m0/s1
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17n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human Opioid receptor delta 1 epressing HEK293 cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123759
PNG
((E)-(1S,2S,6R,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30-,31+/m1/s1
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21n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123760
PNG
((E)-(1S,2S,6S,7R)-7-((S)-1-Carbamoyl-2-phenyl-etho...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H40N2O6/c1-21-16-25(36)17-22(2)26(21)20-28(34)30(38)15-9-14-29(37)27(18-23-10-5-3-6-11-23)33(40)41-31(32(35)39)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,36-38H,15,18-20,34H2,1-2H3,(H2,35,39)/p+1/b14-9+/t27-,28+,29+,30+,31+/m1/s1
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21n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human Opioid receptor delta 1 epressing HEK293 cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123763
PNG
((E)-(1S,2S,6S,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30+,31+/m1/s1
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22n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123749
PNG
((E)-(1S,2R,6R,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30-,31-/m1/s1
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25n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123751
PNG
((E)-(1S,2S,6R,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31(37)15-9-14-30(36)28(20-25-12-7-4-8-13-25)32(38)34-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,35-37H,15-17,20-21,33H2,1-2H3,(H,34,38)/p+1/b14-9+/t28-,29+,30-,31+/m1/s1
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26n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human Opioid receptor delta 1 epressing HEK293 cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM322432
PNG
((R)-7-phenyl-N-(1'-azaspiro[cyclopropane-1,2'-bicy...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(-c3ccccc3)c2s1
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30n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM322406
PNG
((R)-7-cyclopropyl-N-(1'-azaspiro[cyclopropane-1,2'...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(C3CC3)c2s1
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36n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123759
PNG
((E)-(1S,2S,6R,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30-,31+/m1/s1
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36n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human Opioid receptor delta 1 epressing HEK293 cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM322274
PNG
(7-chloro-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[...)
Show SMILES Clc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
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37n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123763
PNG
((E)-(1S,2S,6S,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30+,31+/m1/s1
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40n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human Opioid receptor delta 1 epressing HEK293 cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123750
PNG
((E)-(1S,2S,6S,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31(37)15-9-14-30(36)28(20-25-12-7-4-8-13-25)32(38)34-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,35-37H,15-17,20-21,33H2,1-2H3,(H,34,38)/p+1/b14-9+/t28-,29+,30+,31+/m1/s1
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42n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123758
PNG
((E)-(1S,2R,6S,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30+,31-/m1/s1
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46n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human Opioid receptor delta 1 epressing HEK293 cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM322452
PNG
((R)-6-chloro-7-methyl-N-(1'-azaspiro[cyclopropane-...)
Show SMILES Cc1c(Cl)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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47n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM322274
PNG
(7-chloro-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[...)
Show SMILES Clc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
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48n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123753
PNG
((E)-(1S,2S,6R,7S)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28-,29-,30+,31-/m0/s1
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50n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123756
PNG
((E)-(1S,2R,6S,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31(37)15-9-14-30(36)28(20-25-12-7-4-8-13-25)32(38)34-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,35-37H,15-17,20-21,33H2,1-2H3,(H,34,38)/p+1/b14-9+/t28-,29+,30+,31-/m1/s1
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51n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123752
PNG
((E)-(1S,2S,6S,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C33H42N2O5/c1-22-16-27(37)17-23(2)28(22)20-30(34)32(39)15-9-14-31(38)29(19-25-12-7-4-8-13-25)33(40)35-26(21-36)18-24-10-5-3-6-11-24/h3-14,16-17,26,29-32,36-39H,15,18-21,34H2,1-2H3,(H,35,40)/p+1/b14-9+/t26-,29+,30-,31-,32-/m0/s1
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54n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human Opioid receptor delta 1 epressing HEK293 cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM322387
PNG
((R)-6,7-dichloro-N-(1'-azaspiro[cyclopropane-1,2'-...)
Show SMILES Clc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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54.5n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123754
PNG
((E)-(1S,2S,6S,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C32H39NO5/c1-22-18-26(34)19-23(2)27(22)21-29(33)31(36)15-9-14-30(35)28(20-25-12-7-4-8-13-25)32(37)38-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,34-36H,15-17,20-21,33H2,1-2H3/p+1/b14-9+/t28-,29+,30+,31+/m1/s1
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56n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human Opioid receptor delta 1 epressing HEK293 cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM322402
PNG
((R)-7-methoxy-N-(1'-azaspiro[cyclopropane-1,2'-bic...)
Show SMILES COc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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58n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123757
PNG
((E)-(1S,2S,6R,7S)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31(37)15-9-14-30(36)28(20-25-12-7-4-8-13-25)32(38)34-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,35-37H,15-17,20-21,33H2,1-2H3,(H,34,38)/p+1/b14-9+/t28-,29-,30+,31-/m0/s1
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60n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM322271
PNG
(N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]o...)
Show SMILES O=C(NC1C2CCN(CC2)C11CC1)c1cc2ccccc2s1
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61n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123751
PNG
((E)-(1S,2S,6R,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31(37)15-9-14-30(36)28(20-25-12-7-4-8-13-25)32(38)34-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,35-37H,15-17,20-21,33H2,1-2H3,(H,34,38)/p+1/b14-9+/t28-,29+,30-,31+/m1/s1
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64n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123761
PNG
((E)-(1S,2R,6R,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31(37)15-9-14-30(36)28(20-25-12-7-4-8-13-25)32(38)34-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,35-37H,15-17,20-21,33H2,1-2H3,(H,34,38)/p+1/b14-9+/t28-,29+,30-,31-/m1/s1
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66n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human Opioid receptor delta 1 epressing HEK293 cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123752
PNG
((E)-(1S,2S,6S,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C33H42N2O5/c1-22-16-27(37)17-23(2)28(22)20-30(34)32(39)15-9-14-31(38)29(19-25-12-7-4-8-13-25)33(40)35-26(21-36)18-24-10-5-3-6-11-24/h3-14,16-17,26,29-32,36-39H,15,18-21,34H2,1-2H3,(H,35,40)/p+1/b14-9+/t26-,29+,30-,31-,32-/m0/s1
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69n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123761
PNG
((E)-(1S,2R,6R,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31(37)15-9-14-30(36)28(20-25-12-7-4-8-13-25)32(38)34-17-16-24-10-5-3-6-11-24/h3-14,18-19,28-31,35-37H,15-17,20-21,33H2,1-2H3,(H,34,38)/p+1/b14-9+/t28-,29+,30-,31-/m1/s1
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69n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM322275
PNG
(7-fluoro-N-(1''-azaspiro[cyclopropane-1,2''-bicycl...)
Show SMILES Fc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
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75n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM322440
PNG
((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1n[nH]c2ccccc12
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79n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM322427
PNG
((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(-c3nccs3)c2s1
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83n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123749
PNG
((E)-(1S,2R,6R,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30-,31-/m1/s1
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85n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human Opioid receptor delta 1 epressing HEK293 cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123762
PNG
((E)-(1S,2S,6S,7R)-2,6-Dihydroxy-1-(4-hydroxy-2,6-d...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C33H41NO6/c1-22-16-26(36)17-23(2)28(22)20-30(34)32(38)15-9-14-31(37)29(19-25-12-7-4-8-13-25)33(39)40-27(21-35)18-24-10-5-3-6-11-24/h3-14,16-17,27,29-32,35-38H,15,18-21,34H2,1-2H3/p+1/b14-9+/t27-,29+,30-,31-,32-/m0/s1
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85n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM322385
PNG
((R)-6-chloro-N-(2,2-dimethylquinuclidin-3-yl)-7-me...)
Show SMILES Cc1c(Cl)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:14.15,(-3.98,2.31,;-3.98,.77,;-5.32,,;-6.65,.77,;-5.32,-1.54,;-3.98,-2.31,;-2.65,-1.54,;-1.18,-2.02,;-.28,-.77,;-1.18,.48,;-2.65,,;1.26,-.77,;2.03,-2.1,;2.03,.56,;3.57,.56,;4.34,1.9,;5.37,1.38,;5.95,.38,;5.88,-.77,;6.65,.56,;5.88,1.9,;4.34,-.77,;4.34,-2.31,;3.01,-1.54,)|
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92n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM322280
PNG
(N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]o...)
Show SMILES FC(F)(F)c1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
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98n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
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